2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane

C8H15NS — CID 123644316

IUPAC2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane
SMILESCS(C)(C)C1C=CC=NC1
InChIInChI=1S/C8H15NS/c1-10(2,3)8-5-4-6-9-7-8/h4-6,8H,7H2,1-3H3
InChIKeyLWSHLRMIKUXAOU-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.69
Rot. Bonds1

About 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane

2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane (PubChem CID 123644316) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane.

Molecular Properties

Compound Name2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane
PubChem CID123644316
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane
SMILESCS(C)(C)C1C=CC=NC1
InChIInChI=1S/C8H15NS/c1-10(2,3)8-5-4-6-9-7-8/h4-6,8H,7H2,1-3H3
InChIKeyLWSHLRMIKUXAOU-UHFFFAOYSA-N
XLogP1.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylsulfanyl-2,3-dihydropyridine
CID 53805724
2-(Propyldisulfanyl)-2,3-dihydropyridine
CID 60024987
2-(Pentylsulfanylmethyl)-2,3-dihydropyridine
CID 67904173
5-Methylsulfanyl-2,3-dihydropyridine
CID 68232477
2-(Methylsulfanylmethyl)-2,3-dihydropyridine
CID 70055439
2-(Methyldisulfanyl)-2,3-dihydropyridine
CID 89248582
5-(1-Methylsulfanylethyl)-2,3-dihydropyridine
CID 91177357
2,3-Dihydropyridine-2-thiol
CID 91440046
6-Propan-2-ylsulfanyl-2,3-dihydropyridine
CID 123139916
N-[5-[ethyl(dimethyl)-lambda4-sulfanyl]hexa-2,5-dienyl]ethanimine
CID 123147571
3-Methylsulfanyl-2,3-dihydropyridine
CID 123154233
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane?
The IUPAC name of 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane (CID 123644316) is 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane.
What is the SMILES notation for 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane?
The canonical SMILES for 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane is CS(C)(C)C1C=CC=NC1.
What is the InChIKey of 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane?
The InChIKey is LWSHLRMIKUXAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-10(2,3)8-5-4-6-9-7-8/h4-6,8H,7H2,1-3H3.
What are the key properties of 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane?
2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane has a molecular weight of 157.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridin-3-yl(trimethyl)-λ4-sulfane is sourced from PubChem (CID 123644316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).